5-(1-ethoxyethoxy)pentyl-triphenylphosphanium

C27H34O2P+ — CID 71386152

IUPAC5-(1-ethoxyethoxy)pentyl-triphenylphosphanium
SMILESCCOC(C)OCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34O2P/c1-3-28-24(2)29-22-14-7-15-23-30(25-16-8-4-9-17-25,26-18-10-5-11-19-26)27-20-12-6-13-21-27/h4-6,8-13,16-21,24H,3,7,14-15,22-23H2,1-2H3/q+1
InChIKeyGRSIDBJEVIOIQV-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.55
Rot. Bonds12

About 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium

5-(1-ethoxyethoxy)pentyl-triphenylphosphanium (PubChem CID 71386152) has the molecular formula C27H34O2P+ and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium.

Molecular Properties

Compound Name5-(1-ethoxyethoxy)pentyl-triphenylphosphanium
PubChem CID71386152
Molecular FormulaC27H34O2P+
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name5-(1-ethoxyethoxy)pentyl-triphenylphosphanium
SMILESCCOC(C)OCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34O2P/c1-3-28-24(2)29-22-14-7-15-23-30(25-16-8-4-9-17-25,26-18-10-5-11-19-26)27-20-12-6-13-21-27/h4-6,8-13,16-21,24H,3,7,14-15,22-23H2,1-2H3/q+1
InChIKeyGRSIDBJEVIOIQV-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13,13-diethoxytridecyl(triphenyl)phosphanium
CID 156628251
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
4-methoxybutyl(triphenyl)phosphanium
CID 86618875
hexyl(triphenyl)phosphanium
CID 2724570
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
triphenyl(12-phenylmethoxydodecyl)phosphanium
CID 11061139
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(6-phenylmethoxyhexyl)phosphanium bromide
CID 134481593
6-[1-(3,4-dihydroxyphenyl)ethoxy]hexyl-triphenylphosphanium
CID 175395448

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium?
The IUPAC name of 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium (CID 71386152) is 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium.
What is the SMILES notation for 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium?
The canonical SMILES for 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium is CCOC(C)OCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium?
The InChIKey is GRSIDBJEVIOIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O2P/c1-3-28-24(2)29-22-14-7-15-23-30(25-16-8-4-9-17-25,26-18-10-5-11-19-26)27-20-12-6-13-21-27/h4-6,8-13,16-21,24H,3,7,14-15,22-23H2,1-2H3/q+1.
What are the key properties of 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium?
5-(1-ethoxyethoxy)pentyl-triphenylphosphanium has a molecular weight of 421.54 g/mol, XLogP of 5.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethoxy)pentyl-triphenylphosphanium is sourced from PubChem (CID 71386152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).